Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | TLR4 | O00206 | 1/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20629300 | 0.86 | HSD17B1 (0.35) | CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21202989 | 0.85 | CYP1A2 (0.42) | ERN1CYP2A6PDK2CYP17A1CYP3A4 | |
| SCHEMBL25607606 | 0.85 | CLK4 (0.43) | CYP2A6KAT6ACYP19A1PIK3CDPI4KA | |
| SCHEMBL19910452 | 0.84 | RAF1 (0.31) | — | |
| SCHEMBL22059901 | 0.83 | PDK2 (0.38) | ERN1IRAK4PDK2CYP17A1CYP3A4 | |
| SCHEMBL19120255 | 0.82 | MGLL (0.33) | CYP17A1CYP3A4NPC1RAB9A | |
| SCHEMBL21107549 | 0.80 | KMO (0.35) | — | |
| SCHEMBL22059845 | 0.80 | KDM4E (0.35) | ERN1IRAK4PDK2CYP17A1CYP3A4 | |
| SCHEMBL18015280 | 0.80 | PDK2 (0.38) | ERN1IRAK4PDK2CYP17A1CYP3A4 | |
| SCHEMBL21202793 | 0.80 | PDK2 (0.39) | IRAK4PDK2KAT6ACYP17A1CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023182184-A1 | LIGHT-EMITTING LAYER COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND PRODUCTION METHOD THEREFOR | 三菱ケミカル株式会社 | 2023-09-28 | — | — | WO | disclosed |